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Information card for entry 2239694
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| Coordinates | 2239694.cif |
|---|---|
| Structure factors | 2239694.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>-[(1-Benzoylpiperidin-4-yl)methyl]benzamide |
|---|---|
| Formula | C20 H22 N2 O2 |
| Calculated formula | C20 H22 N2 O2 |
| SMILES | c1ccc(cc1)C(=O)NCC1CCN(CC1)C(=O)c1ccccc1 |
| Title of publication | <i>N</i>-[(1-Benzoylpiperidin-4-yl)methyl]benzamide |
| Authors of publication | Prathebha, K.; Reuben Jonathan, D.; Shanmugam, Sathya; Usha, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | o771 |
| a | 9.8039 ± 0.0002 Å |
| b | 10.4453 ± 0.0002 Å |
| c | 10.6765 ± 0.0002 Å |
| α | 62.208 ± 0.001° |
| β | 66.009 ± 0.001° |
| γ | 68.15 ± 0.001° |
| Cell volume | 860.8 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1165 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239694.cif 2239694.hkl |
| 181315 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/96. |
2239694.cif 2239694.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239694.cif 2239694.hkl |
| 118131 | 2014-06-26 | cif/ hkl/ Adding structures of 2239694 via cif-deposit CGI script. |
2239694.cif 2239694.hkl |
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